#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yux s SER 2 N 0.00 0.93 -0.22 1.61 1.04 -1.26 -5.12 113.70 110.68 2yux s SER 2 Ca 0.00 -1.64 -0.29 0.00 0.48 0.00 0.00 55.95 54.50 2yux s SER 2 Cb 0.00 0.64 0.16 0.00 0.10 0.00 0.00 66.02 66.91 2yux s SER 2 CO 0.00 -0.24 1.17 -0.44 0.98 0.00 0.00 173.24 174.71 2yux s SER 3 N 1.34 -0.21 0.00 7.02 0.01 -1.26 -5.10 113.70 115.50 2yux s SER 3 Ca 0.18 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2yux s SER 3 Cb -0.13 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2yux s SER 3 CO -0.03 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2yux n GLY 4 N 0.67 -0.04 3.22 3.44 0.00 -1.26 -5.19 105.19 106.04 2yux n GLY 4 Ca -0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 2yux n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yux s SER 5 N 0.00 0.18 -0.26 1.61 1.04 -1.26 -5.17 113.70 109.83 2yux s SER 5 Ca 0.00 -1.25 -0.29 0.00 0.48 0.00 0.00 55.95 54.90 2yux s SER 5 Cb 0.00 0.37 0.18 0.00 0.10 0.00 0.00 66.02 66.67 2yux s SER 5 CO 0.00 -0.83 1.30 -0.94 0.98 0.00 0.00 173.24 173.75 2yux s SER 6 N -3.09 -0.11 0.00 7.02 1.04 -1.26 -5.14 113.70 112.16 2yux s SER 6 Ca 0.31 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2yux s SER 6 Cb 0.06 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2yux s SER 6 CO 0.07 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2yux n GLY 7 N 0.72 0.76 3.15 7.32 0.00 -1.26 -5.00 105.19 110.89 2yux n GLY 7 Ca -0.03 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 2yux n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yux s ALA 8 N -2.00 0.86 -0.27 4.61 0.00 -1.26 -5.13 121.76 118.57 2yux s ALA 8 Ca 0.00 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.65 2yux s ALA 8 Cb 0.00 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.47 2yux s ALA 8 CO 0.00 -0.30 -0.08 0.45 0.00 0.00 0.00 175.76 175.83 2yux s SER 9 N -3.02 4.52 -0.79 0.00 0.15 -1.26 -5.02 113.70 108.28 2yux s SER 9 Ca 0.12 -1.52 0.02 0.00 0.70 0.00 0.00 55.95 55.28 2yux s SER 9 Cb 0.06 -1.57 0.25 0.00 -1.71 0.00 0.00 66.02 63.06 2yux s SER 9 CO -0.05 -0.22 0.91 -0.38 1.20 0.00 0.00 173.24 174.70 2yux n ILE 10 N 4.41 3.14 -3.86 6.45 5.41 -1.26 -4.94 119.36 128.71 2yux n ILE 10 Ca -0.11 -5.36 -0.12 0.00 1.00 0.00 0.00 62.75 58.16 2yux n ILE 10 Cb 0.42 -2.14 -0.13 0.00 -0.71 0.00 0.00 39.64 37.07 2yux n ILE 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2yux s ASP 11 N -1.90 -0.04 -0.47 4.38 -1.08 -1.26 -4.95 116.67 111.36 2yux s ASP 11 Ca 0.35 0.07 -0.33 0.00 -0.52 0.00 0.00 52.55 52.12 2yux s ASP 11 Cb 0.08 0.10 0.05 0.00 -1.46 0.00 0.00 42.92 41.68 2yux s ASP 11 CO -0.01 -0.03 0.62 -0.38 0.52 0.00 0.00 175.17 175.89 2yux n ILE 12 N 2.97 -3.52 -3.58 4.11 5.41 -1.26 -4.88 119.36 118.61 2yux n ILE 12 Ca -0.13 0.06 -0.40 0.00 1.00 0.00 0.00 62.75 63.28 2yux n ILE 12 Cb 0.59 -3.20 -0.11 0.00 -0.71 0.00 0.00 39.64 36.21 2yux n ILE 12 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2yux s GLN 13 N -2.62 3.35 -1.20 0.38 -0.21 -1.26 -5.01 119.66 113.10 2yux s GLN 13 Ca 0.32 -0.73 -0.20 0.00 0.02 0.00 0.00 55.36 54.77 2yux s GLN 13 Cb -0.03 -3.71 0.05 0.00 1.00 0.00 0.00 33.01 30.32 2yux s GLN 13 CO 0.83 -0.47 1.67 0.42 -2.12 0.00 0.00 175.29 175.62 2yux s ILE 14 N 1.66 4.00 0.35 1.08 -1.09 -1.26 -4.76 121.20 121.18 2yux s ILE 14 Ca 0.05 -1.46 0.08 0.00 -2.23 0.00 0.00 60.65 57.09 2yux s ILE 14 Cb -0.17 -5.08 0.31 0.00 -1.58 0.00 0.00 42.46 35.94 2yux s ILE 14 CO 0.08 -1.90 1.89 0.16 -1.23 0.00 0.00 174.94 173.94 2yux h ILE 15 N 6.03 0.88 -2.95 2.92 -0.00 -1.95 -3.42 117.51 119.02 2yux h ILE 15 Ca 0.35 -0.25 -0.37 0.00 -0.00 0.00 0.00 64.86 64.59 2yux h ILE 15 Cb 0.92 0.09 0.22 0.00 -0.00 0.00 0.00 36.82 38.05 2yux h ILE 15 CO 1.43 0.13 -0.16 0.47 -0.00 0.00 0.00 178.15 180.02 2yux n ASP 16 N -4.54 -3.97 -4.48 2.16 9.92 -1.26 -4.86 116.55 109.51 2yux n ASP 16 Ca 0.16 -0.81 -0.41 0.00 -0.53 0.00 0.00 54.79 53.20 2yux n ASP 16 Cb 0.41 -1.03 0.01 0.00 -0.64 0.00 0.00 41.12 39.87 2yux n ASP 16 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2yux n ARG 17 N -5.73 0.68 -1.53 -1.24 1.74 -1.26 -4.95 116.66 104.37 2yux n ARG 17 Ca 0.13 0.25 -0.29 0.00 -0.77 0.00 0.00 57.85 57.16 2yux n ARG 17 Cb 0.60 -1.61 0.17 0.00 -1.02 0.00 0.00 32.46 30.61 2yux n ARG 17 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2yux s PRO 18 N -1.69 0.43 0.00 5.56 0.04 -1.26 -5.04 135.00 133.04 2yux s PRO 18 Ca 0.64 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2yux s PRO 18 Cb -0.59 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2yux s PRO 18 CO 0.57 -2.63 0.00 0.41 0.04 0.00 0.00 177.00 175.40 2yux n GLY 19 N -2.30 2.45 3.78 0.56 0.00 -1.26 -4.46 105.19 103.97 2yux n GLY 19 Ca 0.10 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 2yux n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yux s PRO 20 N 0.06 0.63 0.61 1.61 0.04 -1.26 -4.26 135.00 132.44 2yux s PRO 20 Ca 0.00 0.09 -0.14 0.00 0.04 0.00 0.00 61.00 60.98 2yux s PRO 20 Cb 0.00 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 2yux s PRO 20 CO 0.00 -2.51 1.05 -1.25 0.04 0.00 0.00 177.00 174.33 2yux s PRO 21 N -5.42 3.28 0.30 0.56 0.04 -1.26 -4.88 135.00 127.62 2yux s PRO 21 Ca 0.67 1.11 0.05 0.00 0.04 0.00 0.00 61.00 62.87 2yux s PRO 21 Cb -0.12 -2.03 0.78 0.00 0.04 0.00 0.00 34.50 33.17 2yux s PRO 21 CO 0.54 -0.83 1.67 1.96 0.04 0.00 0.00 177.00 180.38 2yux h GLN 22 N 0.18 0.30 -1.80 4.56 4.20 -1.61 -3.45 115.11 117.49 2yux h GLN 22 Ca -0.46 -0.02 0.22 0.00 0.06 0.00 0.00 58.65 58.45 2yux h GLN 22 Cb 1.21 -0.07 -0.15 0.00 0.30 0.00 0.00 27.48 28.78 2yux h GLN 22 CO 0.58 0.20 0.69 -1.50 -0.67 0.00 0.00 178.83 178.12 2yux s ILE 23 N -5.87 0.00 -0.05 2.54 -1.16 -1.26 -4.97 121.20 110.43 2yux s ILE 23 Ca -0.11 -0.15 -0.02 0.00 -0.51 0.00 0.00 60.65 59.86 2yux s ILE 23 Cb 0.26 -1.37 0.03 0.00 0.61 0.00 0.00 42.46 42.00 2yux s ILE 23 CO 0.78 0.00 0.07 -0.69 -2.81 0.00 0.00 174.94 172.28 2yux s VAL 24 N -2.73 -0.12 0.33 4.00 1.01 -1.26 -0.79 120.40 120.86 2yux s VAL 24 Ca 0.10 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.52 2yux s VAL 24 Cb 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 2yux s VAL 24 CO -0.05 0.16 0.07 -0.54 0.00 0.00 0.00 175.10 174.74 2yux s LYS 25 N 2.17 1.68 -0.35 2.72 1.02 0.50 -4.31 119.74 123.18 2yux s LYS 25 Ca 0.05 -1.95 0.00 0.00 0.02 0.00 0.00 55.97 54.09 2yux s LYS 25 Cb -0.12 -0.83 0.09 0.00 -0.52 0.00 0.00 37.83 36.45 2yux s LYS 25 CO -0.03 -0.23 0.07 0.42 -0.92 0.00 0.00 175.35 174.67 2yux s ILE 26 N -3.30 2.79 0.29 2.17 1.01 -1.26 0.20 121.20 123.09 2yux s ILE 26 Ca 0.35 -1.94 0.01 0.00 0.00 0.00 0.00 60.65 59.06 2yux s ILE 26 Cb 0.08 -2.85 0.40 0.00 0.01 0.00 0.00 42.46 40.10 2yux s ILE 26 CO 0.15 -0.45 1.48 1.21 0.00 0.00 0.00 174.94 177.32 2yux n GLU 27 N 4.48 -0.08 0.00 2.79 2.13 0.19 -4.81 120.64 125.34 2yux n GLU 27 Ca -0.04 1.42 0.00 0.00 0.66 0.00 0.00 57.16 59.20 2yux n GLU 27 Cb 0.42 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.89 2yux n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2yux n ASP 28 N -5.41 0.00 -3.67 4.31 -0.08 -1.12 -4.99 116.55 105.58 2yux n ASP 28 Ca 0.21 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.37 2yux n ASP 28 Cb 0.70 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 44.03 2yux n ASP 28 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2yux s VAL 29 N -2.00 -0.37 0.11 5.18 0.11 -1.26 0.13 120.40 122.31 2yux s VAL 29 Ca 0.00 0.23 0.06 0.00 -2.93 0.00 0.00 61.98 59.34 2yux s VAL 29 Cb 0.00 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 2yux s VAL 29 CO 0.00 0.10 -0.14 -1.66 -3.33 0.00 0.00 175.10 170.06 2yux s TRP 30 N 2.19 1.37 0.00 1.54 -2.14 -0.12 -4.71 118.94 117.07 2yux s TRP 30 Ca -0.02 -0.54 0.00 0.00 2.66 0.00 0.00 56.10 58.20 2yux s TRP 30 Cb -0.11 -0.73 0.00 0.00 -3.10 0.00 0.00 33.47 29.53 2yux s TRP 30 CO -0.09 0.13 0.00 0.41 -2.66 0.00 0.00 176.95 174.73 2yux n GLY 31 N 0.65 1.66 2.40 3.67 0.00 -0.04 0.35 105.19 113.88 2yux n GLY 31 Ca -0.16 0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2yux n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yux n GLU 32 N 11.03 3.16 -3.81 1.61 1.02 -1.26 -4.01 120.64 128.38 2yux n GLU 32 Ca 0.00 -3.90 -0.13 0.00 -0.02 0.00 0.00 57.16 53.11 2yux n GLU 32 Cb 0.00 -2.27 -0.13 0.00 -0.02 0.00 0.00 31.44 29.01 2yux n GLU 32 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2yux s ASN 33 N -2.62 -0.12 0.08 1.62 0.01 0.16 -3.37 114.94 110.69 2yux s ASN 33 Ca 0.54 0.26 0.09 0.00 -0.71 0.00 0.00 52.86 53.03 2yux s ASN 33 Cb 0.44 0.23 -0.03 0.00 0.41 0.00 0.00 41.25 42.29 2yux s ASN 33 CO -0.13 -0.07 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.49 2yux s VAL 34 N 0.35 2.55 -0.22 1.60 1.01 -0.77 -0.94 120.40 123.98 2yux s VAL 34 Ca -0.02 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 60.53 2yux s VAL 34 Cb -0.04 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.27 2yux s VAL 34 CO -0.01 0.24 -0.11 0.00 0.00 0.00 0.00 175.10 175.22 2yux s ALA 35 N -0.97 2.59 0.11 5.51 0.00 0.35 -1.48 121.76 127.87 2yux s ALA 35 Ca 0.15 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.79 2yux s ALA 35 Cb -0.10 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2yux s ALA 35 CO 0.06 -0.61 0.13 -0.51 0.00 0.00 0.00 175.76 174.82 2yux s LEU 36 N 1.33 3.91 -0.23 0.00 1.43 -1.19 0.57 118.68 124.50 2yux s LEU 36 Ca 0.02 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 2yux s LEU 36 Cb -0.15 -2.55 0.12 0.00 0.03 0.00 0.00 46.19 43.64 2yux s LEU 36 CO -0.07 0.13 0.34 0.42 0.23 0.00 0.00 176.35 177.40 2yux s THR 37 N -1.56 -0.54 0.13 5.49 -4.23 0.52 -4.04 115.64 111.42 2yux s THR 37 Ca 0.31 -0.06 0.10 0.00 -1.18 0.00 0.00 61.69 60.86 2yux s THR 37 Cb -0.11 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 2yux s THR 37 CO 0.24 -0.13 -0.24 -1.66 -0.54 0.00 0.00 174.62 172.29 2yux s TRP 38 N 2.50 2.38 0.33 3.99 -2.14 -1.19 0.19 118.94 124.99 2yux s TRP 38 Ca 0.11 -0.34 0.02 0.00 2.66 0.00 0.00 56.10 58.54 2yux s TRP 38 Cb -0.15 -1.27 -0.03 0.00 -3.10 0.00 0.00 33.47 28.92 2yux s TRP 38 CO -0.15 0.37 0.51 0.95 -2.66 0.00 0.00 176.95 175.97 2yux s THR 39 N -1.15 5.06 0.82 0.66 -4.23 0.03 -4.85 115.64 111.98 2yux s THR 39 Ca 0.16 -0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 59.95 2yux s THR 39 Cb -0.10 -3.83 0.08 0.00 1.34 0.00 0.00 72.50 69.99 2yux s THR 39 CO 0.08 -0.48 1.10 -2.16 -0.54 0.00 0.00 174.62 172.62 2yux s PRO 40 N -4.25 1.91 0.24 3.99 0.04 -1.26 -3.59 135.00 132.08 2yux s PRO 40 Ca 0.39 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 2yux s PRO 40 Cb -0.09 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2yux s PRO 40 CO 0.34 -1.73 1.10 -1.25 0.04 0.00 0.00 177.00 175.50 2yux s PRO 41 N -5.18 4.63 0.00 0.56 0.04 -1.26 -3.46 135.00 130.33 2yux s PRO 41 Ca 0.61 1.76 0.28 0.00 0.04 0.00 0.00 61.00 63.70 2yux s PRO 41 Cb -0.14 -3.22 1.07 0.00 0.04 0.00 0.00 34.50 32.24 2yux s PRO 41 CO 0.54 0.17 1.80 1.17 0.04 0.00 0.00 177.00 180.72 2yux n LYS 42 N 1.63 0.08 0.00 4.56 4.81 -1.26 -4.36 118.16 123.63 2yux n LYS 42 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2yux n LYS 42 Cb 0.45 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.00 2yux n LYS 42 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2yux n ASP 43 N -1.44 0.00 -3.83 3.14 2.03 -1.26 -4.95 116.55 110.23 2yux n ASP 43 Ca 0.08 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.05 2yux n ASP 43 Cb 0.33 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.75 2yux n ASP 43 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2yux n ASP 44 N -0.29 -4.88 -2.86 1.67 -0.08 -1.26 -4.91 116.55 103.94 2yux n ASP 44 Ca 0.00 -1.05 -0.15 0.00 -1.51 0.00 0.00 54.79 52.07 2yux n ASP 44 Cb 0.00 -2.26 -0.00 0.00 2.34 0.00 0.00 41.12 41.20 2yux n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2yux n GLY 45 N -1.84 3.04 0.00 0.27 0.00 -1.26 -4.81 105.19 100.59 2yux n GLY 45 Ca -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2yux n GLY 45 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2yux n ASN 46 N 0.01 0.00 -3.83 1.61 0.23 -1.26 -4.46 115.26 107.57 2yux n ASN 46 Ca 0.20 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 54.00 2yux n ASN 46 Cb 0.71 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.35 2yux n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yux n ALA 47 N 0.00 0.45 -0.63 -2.53 0.00 -1.26 -5.05 120.51 111.49 2yux n ALA 47 Ca 0.00 -1.85 0.06 0.00 0.00 0.00 0.00 53.44 51.65 2yux n ALA 47 Cb 0.00 1.15 0.11 0.00 0.00 0.00 0.00 19.45 20.71 2yux n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yux n ALA 48 N -1.44 2.27 -3.31 0.00 0.00 -1.26 -4.85 120.51 111.91 2yux n ALA 48 Ca -0.15 -1.92 -0.30 0.00 0.00 0.00 0.00 53.44 51.07 2yux n ALA 48 Cb 0.54 -0.31 0.03 0.00 0.00 0.00 0.00 19.45 19.71 2yux n ALA 48 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2yux n ILE 49 N -0.82 -6.14 -0.33 0.00 -0.00 -1.26 -4.74 119.36 106.07 2yux n ILE 49 Ca 0.11 0.32 0.15 0.00 -0.00 0.00 0.00 62.75 63.34 2yux n ILE 49 Cb 0.53 -4.70 0.30 0.00 -0.00 0.00 0.00 39.64 35.77 2yux n ILE 49 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2yux n THR 50 N -0.27 -0.40 -2.48 1.39 -2.24 -1.23 -4.80 114.28 104.24 2yux n THR 50 Ca -0.03 2.08 0.00 0.00 -2.27 0.00 0.00 64.05 63.83 2yux n THR 50 Cb 0.62 -3.06 0.00 0.00 -2.10 0.00 0.00 70.33 65.78 2yux n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yux n GLY 51 N -1.46 1.88 2.77 3.38 0.00 -1.26 -4.55 105.19 105.95 2yux n GLY 51 Ca 0.23 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 2yux n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yux s TYR 52 N -2.49 0.52 0.52 1.61 2.02 -0.26 -2.61 117.35 116.66 2yux s TYR 52 Ca 0.00 -0.07 -0.13 0.00 -0.37 0.00 0.00 57.07 56.50 2yux s TYR 52 Cb 0.00 -0.67 -0.06 0.00 -0.40 0.00 0.00 41.96 40.82 2yux s TYR 52 CO 0.00 -0.26 0.94 0.99 -1.57 0.00 0.00 175.55 175.65 2yux s THR 53 N 1.75 4.66 0.09 -0.71 2.01 -1.26 -3.82 115.64 118.36 2yux s THR 53 Ca 0.01 0.93 0.03 0.00 0.31 0.00 0.00 61.69 62.97 2yux s THR 53 Cb -0.13 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2yux s THR 53 CO -0.04 -0.79 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.39 2yux s ILE 54 N -2.73 0.76 -0.23 1.82 1.01 -1.08 -1.90 121.20 118.86 2yux s ILE 54 Ca 0.55 -1.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.40 2yux s ILE 54 Cb -0.10 -1.36 0.07 0.00 0.01 0.00 0.00 42.46 41.08 2yux s ILE 54 CO 0.38 -0.66 0.57 -1.10 0.00 0.00 0.00 174.94 174.13 2yux s GLN 55 N -3.01 0.58 0.22 2.79 -0.21 -1.17 -2.21 119.66 116.65 2yux s GLN 55 Ca 0.05 1.01 0.11 0.00 0.02 0.00 0.00 55.36 56.55 2yux s GLN 55 Cb -0.01 0.09 -0.05 0.00 1.00 0.00 0.00 33.01 34.05 2yux s GLN 55 CO -0.02 -0.15 -0.17 0.15 -2.12 0.00 0.00 175.29 172.99 2yux s LYS 56 N 1.41 1.78 -0.12 2.91 1.02 -1.25 -3.08 119.74 122.39 2yux s LYS 56 Ca -0.09 -1.52 -0.20 0.00 0.02 0.00 0.00 55.97 54.17 2yux s LYS 56 Cb -0.06 -1.93 0.05 0.00 -0.52 0.00 0.00 37.83 35.36 2yux s LYS 56 CO -0.15 0.38 0.51 0.00 -0.92 0.00 0.00 175.35 175.18 2yux s ALA 57 N -1.99 -1.30 0.62 5.17 0.00 -1.23 -2.73 121.76 120.29 2yux s ALA 57 Ca 0.26 1.20 -0.07 0.00 0.00 0.00 0.00 51.96 53.34 2yux s ALA 57 Cb -0.07 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.60 2yux s ALA 57 CO 0.14 -0.28 0.94 -0.51 0.00 0.00 0.00 175.76 176.05 2yux s ASP 58 N -0.40 5.51 -0.23 0.00 1.11 -1.26 -2.21 116.67 119.19 2yux s ASP 58 Ca -0.05 0.76 0.05 0.00 0.18 0.00 0.00 52.55 53.48 2yux s ASP 58 Cb -0.03 -1.69 0.45 0.00 1.07 0.00 0.00 42.92 42.71 2yux s ASP 58 CO 0.04 -1.15 1.46 0.29 1.18 0.00 0.00 175.17 176.99 2yux n LYS 59 N -2.67 2.39 -0.01 8.23 5.02 -1.26 -0.64 118.16 129.22 2yux n LYS 59 Ca 0.05 -1.90 -0.01 0.00 -2.02 0.00 0.00 58.31 54.43 2yux n LYS 59 Cb 0.58 -1.82 -0.00 0.00 -0.02 0.00 0.00 35.03 33.76 2yux n LYS 59 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2yux n LYS 60 N -0.19 0.03 -0.00 1.97 4.01 -1.26 -4.82 118.16 117.89 2yux n LYS 60 Ca 0.30 0.01 0.01 0.00 -0.51 0.00 0.00 58.31 58.11 2yux n LYS 60 Cb 1.09 -0.98 -0.02 0.00 -0.51 0.00 0.00 35.03 34.61 2yux n LYS 60 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2yux n SER 61 N -2.58 4.39 -1.90 4.39 7.64 -1.25 -5.00 113.62 119.31 2yux n SER 61 Ca -0.02 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.66 2yux n SER 61 Cb 0.52 0.94 -0.05 0.00 -1.01 0.00 0.00 64.21 64.61 2yux n SER 61 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2yux n MET 62 N -1.75 -1.50 -2.72 1.43 2.81 0.19 -4.94 117.12 110.63 2yux n MET 62 Ca -0.02 1.10 -0.40 0.00 -1.81 0.00 0.00 57.70 56.57 2yux n MET 62 Cb 0.23 -5.58 -0.05 0.00 -0.71 0.00 0.00 33.22 27.11 2yux n MET 62 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2yux s GLU 63 N -4.32 4.79 -0.17 0.03 2.02 -1.26 -4.82 118.70 114.97 2yux s GLU 63 Ca 0.00 1.51 -0.05 0.00 0.02 0.00 0.00 54.97 56.45 2yux s GLU 63 Cb 0.00 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 2yux s GLU 63 CO 0.00 0.40 -0.01 -1.58 0.02 0.00 0.00 175.26 174.09 2yux s TRP 64 N -0.82 3.07 -0.08 1.61 0.52 -1.26 -3.56 118.94 118.42 2yux s TRP 64 Ca 0.43 -0.24 -0.01 0.00 0.02 0.00 0.00 56.10 56.30 2yux s TRP 64 Cb -0.26 -2.00 0.03 0.00 -1.15 0.00 0.00 33.47 30.09 2yux s TRP 64 CO 0.32 -0.02 -0.01 -0.59 0.02 0.00 0.00 176.95 176.67 2yux s PHE 65 N 0.44 0.83 -0.46 -1.98 -0.71 -1.11 -4.96 117.98 110.03 2yux s PHE 65 Ca -0.02 -0.29 -0.43 0.00 -1.04 0.00 0.00 56.93 55.14 2yux s PHE 65 Cb -0.14 -0.89 -0.18 0.00 -1.21 0.00 0.00 43.02 40.60 2yux s PHE 65 CO 0.02 -0.37 1.57 2.41 -1.34 0.00 0.00 175.22 177.51 2yux n THR 66 N 5.11 0.00 -0.05 -4.49 -1.04 -1.26 -3.94 114.28 108.60 2yux n THR 66 Ca -0.08 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.77 2yux n THR 66 Cb 0.50 -0.46 -0.14 0.00 -1.82 0.00 0.00 70.33 68.41 2yux n THR 66 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2yux n VAL 67 N 4.11 1.60 -3.53 12.58 0.31 -0.94 -5.00 118.33 127.46 2yux n VAL 67 Ca 0.33 -0.70 -0.13 0.00 -0.01 0.00 0.00 64.34 63.83 2yux n VAL 67 Cb -0.05 -1.27 -0.04 0.00 -0.91 0.00 0.00 33.84 31.57 2yux n VAL 67 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2yux s ILE 68 N -2.55 0.02 0.02 2.52 2.07 -1.26 -5.01 121.20 117.03 2yux s ILE 68 Ca -0.19 -0.20 -0.07 0.00 -1.41 0.00 0.00 60.65 58.78 2yux s ILE 68 Cb 0.07 -1.02 -0.00 0.00 0.13 0.00 0.00 42.46 41.64 2yux s ILE 68 CO 0.75 -0.11 0.12 -1.61 -1.91 0.00 0.00 174.94 172.18 2yux s GLU 69 N -3.08 0.56 -1.07 3.50 2.02 -1.26 -2.63 118.70 116.74 2yux s GLU 69 Ca -0.02 -0.60 -0.15 0.00 0.02 0.00 0.00 54.97 54.22 2yux s GLU 69 Cb -0.00 0.22 -0.02 0.00 0.10 0.00 0.00 34.13 34.43 2yux s GLU 69 CO -0.07 -0.14 0.81 0.72 0.02 0.00 0.00 175.26 176.60 2yux n HIS 70 N 1.03 -2.11 -3.76 1.61 8.25 -1.26 -4.95 115.22 114.02 2yux n HIS 70 Ca -0.21 0.60 -0.36 0.00 -0.26 0.00 0.00 57.72 57.49 2yux n HIS 70 Cb 0.57 -3.60 -0.11 0.00 1.12 0.00 0.00 29.99 27.97 2yux n HIS 70 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2yux s TYR 71 N -3.39 3.18 -0.04 4.41 6.14 -1.25 -4.83 117.35 121.58 2yux s TYR 71 Ca 0.42 -0.09 -0.17 0.00 0.64 0.00 0.00 57.07 57.87 2yux s TYR 71 Cb -0.13 -2.24 -0.10 0.00 0.42 0.00 0.00 41.96 39.91 2yux s TYR 71 CO 0.83 -0.14 0.70 0.45 0.64 0.00 0.00 175.55 178.03 2yux h HIS 72 N 7.84 -0.41 -0.89 4.97 3.86 -1.92 -0.69 115.15 127.91 2yux h HIS 72 Ca -0.37 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 58.80 2yux h HIS 72 Cb 1.18 0.14 0.02 0.00 1.06 0.00 0.00 27.41 29.80 2yux h HIS 72 CO 0.67 -0.16 -0.02 0.54 0.86 0.00 0.00 177.93 179.82 2yux n ARG 73 N -5.08 -0.97 -1.01 2.45 3.00 -1.26 -4.84 116.66 108.95 2yux n ARG 73 Ca -0.07 -0.13 0.03 0.00 -0.01 0.00 0.00 57.85 57.68 2yux n ARG 73 Cb 0.22 -0.21 0.04 0.00 0.00 0.00 0.00 32.46 32.52 2yux n ARG 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2yux n THR 74 N -2.97 0.38 -3.70 0.55 -2.24 -1.26 -4.74 114.28 100.30 2yux n THR 74 Ca 0.01 -1.06 -0.12 0.00 -2.27 0.00 0.00 64.05 60.61 2yux n THR 74 Cb 0.05 0.63 -0.07 0.00 -2.10 0.00 0.00 70.33 68.84 2yux n THR 74 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2yux s SER 75 N -1.91 -0.22 0.10 3.42 1.04 -1.26 -3.15 113.70 111.72 2yux s SER 75 Ca 0.24 -0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.41 2yux s SER 75 Cb 0.27 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.83 2yux s SER 75 CO -0.10 -0.65 0.43 0.00 0.98 0.00 0.00 173.24 173.90 2yux s ALA 76 N -2.56 -1.05 -0.33 5.32 0.00 -1.26 -5.06 121.76 116.82 2yux s ALA 76 Ca -0.05 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 2yux s ALA 76 Cb -0.01 0.57 0.07 0.00 0.00 0.00 0.00 23.12 23.76 2yux s ALA 76 CO -0.03 -0.58 0.06 0.99 0.00 0.00 0.00 175.76 176.20 2yux s THR 77 N -3.26 3.05 0.62 0.00 2.01 -1.26 -3.19 115.64 113.61 2yux s THR 77 Ca -0.00 -1.63 -0.11 0.00 0.31 0.00 0.00 61.69 60.25 2yux s THR 77 Cb 0.01 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 2yux s THR 77 CO -0.08 -0.31 1.03 -0.63 -0.69 0.00 0.00 174.62 173.94 2yux s ILE 78 N 1.20 4.60 0.00 1.82 -1.09 -0.55 -4.88 121.20 122.30 2yux s ILE 78 Ca -0.00 0.88 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 2yux s ILE 78 Cb -0.21 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2yux s ILE 78 CO -0.02 -1.07 0.00 1.07 -1.23 0.00 0.00 174.94 173.69 2yux n THR 79 N -2.70 0.00 -4.26 2.92 5.66 -1.26 -1.84 114.28 112.80 2yux n THR 79 Ca 0.06 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.74 2yux n THR 79 Cb 0.54 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.25 2yux n THR 79 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2yux n GLU 80 N 0.00 -1.79 -4.32 1.09 1.02 -1.22 -4.86 120.64 110.56 2yux n GLU 80 Ca 0.00 0.21 -0.35 0.00 -0.02 0.00 0.00 57.16 57.01 2yux n GLU 80 Cb 0.00 -4.22 -0.09 0.00 -0.02 0.00 0.00 31.44 27.11 2yux n GLU 80 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2yux s LEU 81 N -7.24 3.65 -0.08 -4.62 1.43 -1.24 -5.09 118.68 105.49 2yux s LEU 81 Ca 0.24 0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 53.41 2yux s LEU 81 Cb -0.14 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 2yux s LEU 81 CO 0.97 0.37 0.23 0.54 0.23 0.00 0.00 176.35 178.70 2yux s VAL 82 N -0.91 5.34 -0.65 -1.59 0.11 -1.26 -4.53 120.40 116.91 2yux s VAL 82 Ca 0.14 0.43 -0.25 0.00 -2.93 0.00 0.00 61.98 59.37 2yux s VAL 82 Cb -0.11 -3.51 0.05 0.00 -1.53 0.00 0.00 36.38 31.27 2yux s VAL 82 CO 0.03 0.60 1.07 -0.63 -3.33 0.00 0.00 175.10 172.84 2yux s ILE 83 N -1.01 4.14 0.00 7.04 1.01 -1.26 -3.19 121.20 127.92 2yux s ILE 83 Ca 0.18 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2yux s ILE 83 Cb -0.14 -4.72 0.00 0.00 0.01 0.00 0.00 42.46 37.61 2yux s ILE 83 CO 0.07 -1.48 0.00 0.61 0.00 0.00 0.00 174.94 174.14 2yux n GLY 84 N 5.27 0.70 3.55 6.18 0.00 -1.25 -4.98 105.19 114.65 2yux n GLY 84 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2yux n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yux s ASN 85 N -0.05 4.11 0.38 1.61 0.01 -1.19 -5.00 114.94 114.79 2yux s ASN 85 Ca 0.00 -0.67 0.08 0.00 -0.71 0.00 0.00 52.86 51.55 2yux s ASN 85 Cb 0.00 -0.63 -0.02 0.00 0.41 0.00 0.00 41.25 41.01 2yux s ASN 85 CO 0.00 0.09 0.34 -1.61 -1.51 0.00 0.00 177.10 174.41 2yux s GLU 86 N -2.98 2.64 0.06 -0.60 8.01 -1.26 -3.40 118.70 121.17 2yux s GLU 86 Ca 0.26 -1.40 -0.19 0.00 0.01 0.00 0.00 54.97 53.64 2yux s GLU 86 Cb -0.08 -2.44 0.04 0.00 -4.31 0.00 0.00 34.13 27.34 2yux s GLU 86 CO 0.15 -0.05 0.44 0.71 0.01 0.00 0.00 175.26 176.52 2yux s TYR 87 N -2.38 -0.31 0.45 1.61 2.02 -1.18 -4.02 117.35 113.52 2yux s TYR 87 Ca 0.45 0.26 0.07 0.00 -0.37 0.00 0.00 57.07 57.48 2yux s TYR 87 Cb -0.05 0.26 -0.02 0.00 -0.40 0.00 0.00 41.96 41.76 2yux s TYR 87 CO 0.27 -0.61 0.29 0.71 -1.57 0.00 0.00 175.55 174.65 2yux s TYR 88 N -2.63 2.41 -0.05 2.71 2.02 -0.94 -1.70 117.35 119.17 2yux s TYR 88 Ca -0.04 -0.62 -0.29 0.00 -0.37 0.00 0.00 57.07 55.75 2yux s TYR 88 Cb -0.00 -2.02 0.07 0.00 -0.40 0.00 0.00 41.96 39.60 2yux s TYR 88 CO -0.03 -0.06 0.64 -0.06 -1.57 0.00 0.00 175.55 174.47 2yux s PHE 89 N -2.60 -0.61 -0.24 2.71 0.40 -1.26 -3.76 117.98 112.61 2yux s PHE 89 Ca 0.41 1.06 -0.16 0.00 -0.60 0.00 0.00 56.93 57.65 2yux s PHE 89 Cb 0.00 0.37 0.07 0.00 0.51 0.00 0.00 43.02 43.98 2yux s PHE 89 CO 0.24 -0.58 0.61 -0.98 0.70 0.00 0.00 175.22 175.20 2yux s ARG 90 N -1.16 0.64 -0.10 0.44 1.70 -1.18 -2.36 118.95 116.93 2yux s ARG 90 Ca -0.11 1.04 -0.04 0.00 -0.47 0.00 0.00 55.73 56.16 2yux s ARG 90 Cb -0.01 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 2yux s ARG 90 CO 0.09 -0.14 0.05 0.08 -1.08 0.00 0.00 175.30 174.30 2yux s VAL 91 N 1.29 4.69 0.00 4.99 1.01 -1.24 -3.06 120.40 128.08 2yux s VAL 91 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2yux s VAL 91 Cb -0.06 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2yux s VAL 91 CO -0.14 0.60 0.00 0.49 0.00 0.00 0.00 175.10 176.06 2yux n PHE 92 N 2.16 -2.29 -3.76 5.22 3.01 -0.80 -3.28 117.46 117.73 2yux n PHE 92 Ca -0.19 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 57.98 2yux n PHE 92 Cb 0.54 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.88 2yux n PHE 92 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2yux s SER 93 N -0.97 3.76 0.39 4.37 0.01 -1.26 -4.32 113.70 115.68 2yux s SER 93 Ca 0.00 -2.90 -0.26 0.00 1.31 0.00 0.00 55.95 54.10 2yux s SER 93 Cb 0.00 -1.18 -0.09 0.00 0.21 0.00 0.00 66.02 64.96 2yux s SER 93 CO 0.00 -0.23 1.24 -1.61 0.41 0.00 0.00 173.24 173.05 2yux s GLU 94 N -0.03 4.06 0.00 12.44 0.41 -1.07 -4.07 118.70 130.43 2yux s GLU 94 Ca 0.20 2.01 0.00 0.00 -0.41 0.00 0.00 54.97 56.77 2yux s GLU 94 Cb -0.20 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.39 2yux s GLU 94 CO -0.04 -0.37 0.00 0.27 -0.49 0.00 0.00 175.26 174.63 2yux n ASN 95 N 0.20 0.00 -0.17 -0.19 0.23 -1.04 -3.53 115.26 110.77 2yux n ASN 95 Ca 0.03 -0.71 -0.05 0.00 -0.53 0.00 0.00 54.58 53.33 2yux n ASN 95 Cb 0.45 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.19 2yux n ASN 95 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 2yux h MET 96 N 0.00 0.53 0.00 -3.83 2.86 -1.97 -3.28 114.93 109.23 2yux h MET 96 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2yux h MET 96 Cb 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2yux h MET 96 CO 0.00 0.35 0.00 0.00 1.06 0.00 0.00 176.91 178.32 2yux n GLY 98 N -0.27 0.60 3.93 0.00 0.00 -1.24 -5.14 105.19 103.07 2yux n GLY 98 Ca 0.00 0.40 -0.20 0.00 0.00 0.00 0.00 46.02 46.22 2yux n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yux s LEU 99 N 0.00 3.92 0.17 0.99 2.01 -1.26 -2.50 118.68 122.02 2yux s LEU 99 Ca 0.00 -0.23 -0.30 0.00 0.01 0.00 0.00 54.13 53.61 2yux s LEU 99 Cb 0.00 -2.59 -0.07 0.00 0.01 0.00 0.00 46.19 43.53 2yux s LEU 99 CO 0.00 -0.31 0.96 -0.94 1.01 0.00 0.00 176.35 177.07 2yux s SER 100 N -4.06 7.56 0.47 2.29 1.04 -1.26 -4.84 113.70 114.90 2yux s SER 100 Ca 0.41 1.88 0.30 0.00 0.48 0.00 0.00 55.95 59.01 2yux s SER 100 Cb -0.08 -2.60 1.38 0.00 0.10 0.00 0.00 66.02 64.82 2yux s SER 100 CO 0.29 0.03 1.72 -0.33 0.98 0.00 0.00 173.24 175.93 2yux h GLU 101 N 4.91 0.15 -4.41 4.02 4.39 -1.92 -3.40 114.58 118.31 2yux h GLU 101 Ca -0.44 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.06 2yux h GLU 101 Cb 1.21 -0.03 -0.17 0.00 -0.10 0.00 0.00 28.75 29.66 2yux h GLU 101 CO 0.70 0.10 -0.70 0.16 -1.16 0.00 0.00 179.01 178.12 2yux s ASP 102 N -4.88 0.75 0.09 1.42 -4.77 -1.26 -5.15 116.67 102.87 2yux s ASP 102 Ca -0.07 -0.87 0.07 0.00 -3.30 0.00 0.00 52.55 48.38 2yux s ASP 102 Cb 0.26 0.12 -0.03 0.00 -1.09 0.00 0.00 42.92 42.18 2yux s ASP 102 CO 0.82 -0.45 -0.18 0.00 0.70 0.00 0.00 175.17 176.05 2yux s ALA 103 N -3.12 1.53 -0.66 2.11 0.00 -1.26 -4.04 121.76 116.31 2yux s ALA 103 Ca 0.03 -1.13 -0.27 0.00 0.00 0.00 0.00 51.96 50.59 2yux s ALA 103 Cb 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2yux s ALA 103 CO -0.05 0.28 1.32 0.99 0.00 0.00 0.00 175.76 178.30 2yux s THR 104 N -1.19 3.78 0.00 0.00 2.01 -1.20 -4.88 115.64 114.15 2yux s THR 104 Ca 0.03 0.56 -0.22 0.00 0.31 0.00 0.00 61.69 62.37 2yux s THR 104 Cb -0.10 -4.72 -0.05 0.00 0.01 0.00 0.00 72.50 67.64 2yux s THR 104 CO 0.03 -1.55 0.64 -0.32 -0.69 0.00 0.00 174.62 172.73 2yux s MET 105 N 5.61 4.37 -0.33 4.92 0.00 -1.26 -3.66 119.30 128.95 2yux s MET 105 Ca 0.42 0.82 -0.42 0.00 0.00 0.00 0.00 55.69 56.50 2yux s MET 105 Cb -0.09 -3.36 -0.17 0.00 0.00 0.00 0.00 34.83 31.21 2yux s MET 105 CO 0.20 0.32 1.66 0.25 0.00 0.00 0.00 175.02 177.45 2yux n THR 106 N 2.83 0.18 -0.68 10.11 -2.24 -1.00 -4.70 114.28 118.79 2yux n THR 106 Ca -0.05 -0.03 0.52 0.00 -2.27 0.00 0.00 64.05 62.21 2yux n THR 106 Cb 0.51 -0.92 0.80 0.00 -2.10 0.00 0.00 70.33 68.62 2yux n THR 106 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2yux n LYS 107 N 4.66 -0.00 -4.40 -0.78 4.76 -1.26 -4.41 118.16 116.72 2yux n LYS 107 Ca 0.27 1.09 -0.21 0.00 -2.87 0.00 0.00 58.31 56.60 2yux n LYS 107 Cb 0.06 -2.48 -0.09 0.00 -1.84 0.00 0.00 35.03 30.69 2yux n LYS 107 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2yux s GLU 108 N -4.88 1.71 0.42 1.97 2.02 -1.26 -5.17 118.70 113.52 2yux s GLU 108 Ca -0.05 -2.00 0.07 0.00 0.02 0.00 0.00 54.97 53.01 2yux s GLU 108 Cb 0.27 -0.30 0.01 0.00 0.10 0.00 0.00 34.13 34.21 2yux s GLU 108 CO 0.88 -0.45 0.58 -1.54 0.02 0.00 0.00 175.26 174.75 2yux s SER 109 N -3.46 5.65 -0.34 -0.19 1.04 -1.26 -4.85 113.70 110.28 2yux s SER 109 Ca 0.32 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.25 2yux s SER 109 Cb 0.04 -0.72 -0.02 0.00 0.10 0.00 0.00 66.02 65.43 2yux s SER 109 CO 0.17 -0.77 0.24 0.00 0.98 0.00 0.00 173.24 173.86 2yux s ALA 110 N -2.37 3.50 -0.46 5.32 0.00 -0.69 -4.95 121.76 122.11 2yux s ALA 110 Ca 0.55 -1.40 -0.24 0.00 0.00 0.00 0.00 51.96 50.86 2yux s ALA 110 Cb -0.10 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.37 2yux s ALA 110 CO 0.33 -1.00 0.85 0.08 0.00 0.00 0.00 175.76 176.02 2yux s VAL 111 N 1.72 4.57 0.42 0.00 1.01 -1.26 -3.13 120.40 123.73 2yux s VAL 111 Ca 0.06 0.54 -0.26 0.00 0.00 0.00 0.00 61.98 62.33 2yux s VAL 111 Cb -0.17 -4.38 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 2yux s VAL 111 CO 0.10 -0.78 1.37 -0.63 0.00 0.00 0.00 175.10 175.16 2yux s ILE 112 N 3.51 2.35 0.14 2.22 -1.09 -1.22 -4.95 121.20 122.15 2yux s ILE 112 Ca 0.33 0.31 -0.25 0.00 -2.23 0.00 0.00 60.65 58.81 2yux s ILE 112 Cb -0.11 -3.19 0.07 0.00 -1.58 0.00 0.00 42.46 37.66 2yux s ILE 112 CO 0.24 0.05 1.02 0.00 -1.23 0.00 0.00 174.94 175.02 2yux s ALA 113 N -1.23 -1.72 -0.38 9.38 0.00 -1.26 -3.93 121.76 122.62 2yux s ALA 113 Ca 0.58 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 2yux s ALA 113 Cb -0.41 0.63 0.10 0.00 0.00 0.00 0.00 23.12 23.45 2yux s ALA 113 CO 0.53 -1.05 0.15 -0.98 0.00 0.00 0.00 175.76 174.41 2yux s ARG 114 N -2.93 1.87 -0.18 0.00 1.70 -1.26 -0.86 118.95 117.28 2yux s ARG 114 Ca 0.15 -1.81 -0.16 0.00 -0.47 0.00 0.00 55.73 53.44 2yux s ARG 114 Cb -0.01 -3.46 0.05 0.00 -0.57 0.00 0.00 34.95 30.97 2yux s ARG 114 CO 0.02 -1.01 0.48 0.16 -1.08 0.00 0.00 175.30 173.87 2yux s ASP 115 N 1.53 -0.52 0.86 -2.89 1.47 -1.26 -4.94 116.67 110.93 2yux s ASP 115 Ca 0.08 0.97 -0.10 0.00 1.18 0.00 0.00 52.55 54.69 2yux s ASP 115 Cb -0.22 0.96 0.11 0.00 -0.34 0.00 0.00 42.92 43.44 2yux s ASP 115 CO -0.05 -0.17 1.12 -0.83 0.68 0.00 0.00 175.17 175.92 2yux s GLY 116 N 0.47 1.68 -0.05 2.12 0.00 -1.26 -4.56 107.32 105.72 2yux s GLY 116 Ca -0.02 0.45 0.05 0.00 0.00 0.00 0.00 44.72 45.20 2yux s GLY 116 CO -0.02 0.84 -0.18 1.25 0.00 0.00 0.00 173.10 174.98 2yux s LYS 117 N -4.75 2.48 -0.11 2.90 2.20 -1.26 -4.88 119.74 116.31 2yux s LYS 117 Ca 0.65 -0.78 -0.05 0.00 -0.36 0.00 0.00 55.97 55.43 2yux s LYS 117 Cb -0.20 -2.28 0.02 0.00 -1.51 0.00 0.00 37.83 33.85 2yux s LYS 117 CO 0.57 0.55 0.10 -0.89 -0.36 0.00 0.00 175.35 175.32 2yux n ILE 118 N 2.52 -7.16 -0.05 5.43 2.08 -1.26 -4.95 119.36 115.97 2yux n ILE 118 Ca -0.17 1.38 0.00 0.00 0.56 0.00 0.00 62.75 64.52 2yux n ILE 118 Cb 0.52 -4.70 0.00 0.00 -0.75 0.00 0.00 39.64 34.71 2yux n ILE 118 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2yux n TYR 119 N 1.82 0.00 0.94 1.39 4.11 -1.26 -5.31 117.16 118.85 2yux n TYR 119 Ca -0.16 -0.01 0.11 0.00 -0.00 0.00 0.00 57.90 57.84 2yux n TYR 119 Cb 0.32 -0.00 0.09 0.00 -0.00 0.00 0.00 39.34 39.75 2yux n TYR 119 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22